Mrv1652306031609322D          

 12  7  0  0  0  0            999 V2000
   -2.5006   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5006    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7862    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7862   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0717   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0717    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3572    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3572   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3864    0.0000    0.0000 Sn  0  0  0  0  0  0  0  0  0  0  0  0
    6.1542    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.8563    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7679   -1.8563    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  4  1  0  0  0  0
  7  5  1  0  0  0  0
  8  6  1  0  0  0  0
  8  7  1  0  0  0  0
M  RAD  1   1   2
M  END
> <DATABASE_ID>
CHEM045643

> <DATABASE_NAME>
chemdb

> <SMILES>
[H].[H].[H].[Sn].[CH2]CCCCCCC

> <INCHI_IDENTIFIER>
InChI=1S/C8H17.Sn.3H/c1-3-5-7-8-6-4-2;;;;/h1,3-8H2,2H3;;;;

> <INCHI_KEY>
LLPCQLJBCNSIOH-UHFFFAOYSA-N

> <FORMULA>
C8H20Sn

> <MOLECULAR_WEIGHT>
234.958

> <EXACT_MASS>
236.058703

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
29

> <JCHEM_AVERAGE_POLARIZABILITY>
16.12638032846635

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
octyl stannane

> <ALOGPS_LOGP>
4.73

> <JCHEM_LOGP>
3.6947

> <ALOGPS_LOGS>
-4.53

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0.0

> <JCHEM_REFRACTIVITY>
37.518

> <JCHEM_ROTATABLE_BOND_COUNT>
5

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
3.37e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
octyl group stannane

> <JCHEM_VEBER_RULE>
1

> <NAME>
octylstannane

> <CAS>
15231-57-9

$$$$